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Information card for entry 4113581
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Coordinates | 4113581.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H19 N O4 |
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Calculated formula | C10 H19 N O4 |
SMILES | [NH+](CCCCCC)(CC(=O)[O-])CC(=O)O |
Title of publication | The Influence of Short Strong Hydrogen Bonding on the Structure and the Physicochemical Properties of Alkyl-N-iminodiacetic Acids in Solid State and Aqueous Systems |
Authors of publication | Leif Häggman; Cecilia Lindblad; Hans Oskarsson; Ann-Sofi Ullström; Ingmar Persson |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 3631 - 3641 |
a | 8.412 ± 0.002 Å |
b | 9.589 ± 0.002 Å |
c | 28.063 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2263.6 ± 0.9 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1039 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.1006 |
Weighted residual factors for all reflections included in the refinement | 0.1152 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4113581.html
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Users of the data should acknowledge the original authors of the
structural data.